MgIn2GeAs4
Alexandria ALEXAlex-ID: agm025930643 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_37_spg42
GeAs2 InAs Mg3As2 GeAs
2025-03-29 13:26:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025930643).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm025930643
data_agm025930643
_cell_length_a 7.31880
_cell_length_b 7.31880
_cell_length_c 7.31880
_cell_angle_alpha 130.73291
_cell_angle_beta 130.73291
_cell_angle_gamma 72.23777
_cell_volume 220.07118
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
In1 In 0.25000 0.75000 0.50000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
As1 As 0.62108 0.62108 0.47662 1.00000
As2 As 0.85553 0.37892 0.00000 1.00000
As3 As 0.37892 0.85553 0.00000 1.00000
As4 As 0.14447 0.14447 0.52338 1.00000
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